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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50027892   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50275197
PNG
(6-(4-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butoxy)...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc(cc2)C2CN3C=CSC3=N2)CC1 |c:28,32|
Show InChI InChI=1S/C26H32N4O2S/c1-31-25-7-3-2-6-24(25)29-15-13-28(14-16-29)12-4-5-18-32-22-10-8-21(9-11-22)23-20-30-17-19-33-26(30)27-23/h2-3,6-11,17,19,23H,4-5,12-16,18,20H2,1H3
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0.120n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50176070
PNG
(7-Methoxy-benzofuran-2-carboxylic acid {4-[4-(2,3-...)
Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O3/c1-31-20-9-4-6-17-16-21(32-23(17)20)24(30)27-10-2-3-11-28-12-14-29(15-13-28)19-8-5-7-18(25)22(19)26/h4-9,16H,2-3,10-15H2,1H3,(H,27,30)
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0.130n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119386
PNG
(Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28)
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0.230n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132019
PNG
(3-(2-Methoxy-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pi...)
Show SMILES COc1ccccc1\C=C\C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-11-5-3-9-21(23)13-14-25(29)26-15-7-8-16-27-17-19-28(20-18-27)22-10-4-6-12-24(22)31-2/h3-6,9-14H,7-8,15-20H2,1-2H3,(H,26,29)/b14-13+
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0.560n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50122041
PNG
(1-Methoxy-naphthalene-2-carboxylic acid {4-[4-(2,3...)
Show SMILES COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50240797
PNG
(6-((4-methoxyphenylsulfonyl)methyl)-N,N-dipropyl-1...)
Show SMILES CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
Show InChI InChI=1S/C24H33NO3S/c1-4-14-25(15-5-2)22-9-8-20-16-19(6-7-21(20)17-22)18-29(26,27)24-12-10-23(28-3)11-13-24/h6-7,10-13,16,22H,4-5,8-9,14-15,17-18H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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1.40n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274908
PNG
(CHEMBL456233 | N-[4-[4-(2-(2-Fluoroethoxy)phenyl)p...)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C26H32FN5O2/c27-11-20-34-25-6-2-1-5-24(25)31-18-16-30(17-19-31)14-4-3-12-29-26(33)22-7-9-23(10-8-22)32-15-13-28-21-32/h1-2,5-10,13,15,21H,3-4,11-12,14,16-20H2,(H,29,33)
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2.95n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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4.20n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50180292
PNG
(4-(1H-imidazol-1-yl)-N-(4-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C25H31N5O2/c1-32-24-7-3-2-6-23(24)29-18-16-28(17-19-29)14-5-4-12-27-25(31)21-8-10-22(11-9-21)30-15-13-26-20-30/h2-3,6-11,13,15,20H,4-5,12,14,16-19H2,1H3,(H,27,31)
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4.23n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50180283
PNG
(CHEMBL424667 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C22H27N5O3/c1-29-21-7-3-2-6-20(21)27-14-12-26(13-15-27)11-5-4-10-23-22(28)17-8-9-18-19(16-17)25-30-24-18/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,23,28)
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4.70n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274908
PNG
(CHEMBL456233 | N-[4-[4-(2-(2-Fluoroethoxy)phenyl)p...)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C26H32FN5O2/c27-11-20-34-25-6-2-1-5-24(25)31-18-16-30(17-19-31)14-4-3-12-29-26(33)22-7-9-23(10-8-22)32-15-13-28-21-32/h1-2,5-10,13,15,21H,3-4,11-12,14,16-20H2,(H,29,33)
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5.92n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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12.5n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274910
PNG
(CHEMBL515535 | N-[4-[4-(2-(2-Fluoroethoxy)phenyl)p...)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C23H28FN5O3/c24-9-16-31-22-6-2-1-5-21(22)29-14-12-28(13-15-29)11-4-3-10-25-23(30)18-7-8-19-20(17-18)27-32-26-19/h1-2,5-8,17H,3-4,9-16H2,(H,25,30)
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17.8n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274872
PNG
(CHEMBL514562 | N-[4-[4-(3-Methoxyphenyl)piperazin-...)
Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C25H31N5O2/c1-32-24-6-4-5-23(19-24)29-17-15-28(16-18-29)13-3-2-11-27-25(31)21-7-9-22(10-8-21)30-14-12-26-20-30/h4-10,12,14,19-20H,2-3,11,13,15-18H2,1H3,(H,27,31)
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19.9n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274910
PNG
(CHEMBL515535 | N-[4-[4-(2-(2-Fluoroethoxy)phenyl)p...)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C23H28FN5O3/c24-9-16-31-22-6-2-1-5-21(22)29-14-12-28(13-15-29)11-4-3-10-25-23(30)18-7-8-19-20(17-18)27-32-26-19/h1-2,5-8,17H,3-4,9-16H2,(H,25,30)
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22.1n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50275198
PNG
(CHEMBL514908 | N-[4-[4-(3-Fluoro-5-methoxyphenyl)p...)
Show SMILES COc1cc(F)cc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C25H30FN5O2/c1-33-24-17-21(26)16-23(18-24)30-14-12-29(13-15-30)10-3-2-8-28-25(32)20-4-6-22(7-5-20)31-11-9-27-19-31/h4-7,9,11,16-19H,2-3,8,10,12-15H2,1H3,(H,28,32)
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29.2n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50180283
PNG
(CHEMBL424667 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C22H27N5O3/c1-29-21-7-3-2-6-20(21)27-14-12-26(13-15-27)11-5-4-10-23-22(28)17-8-9-18-19(16-17)25-30-24-18/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,23,28)
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31n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274911
PNG
(CHEMBL458758 | N-[4-[4-(3-(2-Fluoroethoxy)phenyl)p...)
Show SMILES FCCOc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C26H32FN5O2/c27-10-19-34-25-5-3-4-24(20-25)31-17-15-30(16-18-31)13-2-1-11-29-26(33)22-6-8-23(9-7-22)32-14-12-28-21-32/h3-9,12,14,20-21H,1-2,10-11,13,15-19H2,(H,29,33)
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47.2n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50180292
PNG
(4-(1H-imidazol-1-yl)-N-(4-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C25H31N5O2/c1-32-24-7-3-2-6-23(24)29-18-16-28(17-19-29)14-5-4-12-27-25(31)21-8-10-22(11-9-21)30-15-13-26-20-30/h2-3,6-11,13,15,20H,4-5,12,14,16-19H2,1H3,(H,27,31)
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51.7n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274871
PNG
(CHEMBL456232 | N-[4-[3-(2-Methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C21H25N5O3/c1-28-20-6-3-2-5-19(20)26-13-11-25(12-14-26)10-4-9-22-21(27)16-7-8-17-18(15-16)24-29-23-17/h2-3,5-8,15H,4,9-14H2,1H3,(H,22,27)
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89.4n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274906
PNG
(CHEMBL465014 | N-[4-[3-(3-Methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C24H29N5O2/c1-31-23-6-3-2-5-22(23)28-17-15-27(16-18-28)13-4-11-26-24(30)20-7-9-21(10-8-20)29-14-12-25-19-29/h2-3,5-10,12,14,19H,4,11,13,15-18H2,1H3,(H,26,30)
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95.3n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274909
PNG
(CHEMBL457974 | N-[4-[4-(4-Methoxyphenyl)piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C25H31N5O2/c1-32-24-10-8-22(9-11-24)29-18-16-28(17-19-29)14-3-2-12-27-25(31)21-4-6-23(7-5-21)30-15-13-26-20-30/h4-11,13,15,20H,2-3,12,14,16-19H2,1H3,(H,27,31)
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>100n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274912
PNG
(CHEMBL458759 | N-[4-[4-(3-(2-Fluoroethoxy)phenyl)p...)
Show SMILES FCCOc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C23H28FN5O3/c24-8-15-31-20-5-3-4-19(17-20)29-13-11-28(12-14-29)10-2-1-9-25-23(30)18-6-7-21-22(16-18)27-32-26-21/h3-7,16-17H,1-2,8-15H2,(H,25,30)
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>100n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274907
PNG
(CHEMBL447907 | N-[4-[4-(4-Methoxyphenyl)piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C22H27N5O3/c1-29-19-7-5-18(6-8-19)27-14-12-26(13-15-27)11-3-2-10-23-22(28)17-4-9-20-21(16-17)25-30-24-20/h4-9,16H,2-3,10-15H2,1H3,(H,23,28)
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>100n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274873
PNG
(CHEMBL458554 | N-[4-[4-(3-Methoxyphenyl)piperazin-...)
Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C22H27N5O3/c1-29-19-6-4-5-18(16-19)27-13-11-26(12-14-27)10-3-2-9-23-22(28)17-7-8-20-21(15-17)25-30-24-20/h4-8,15-16H,2-3,9-14H2,1H3,(H,23,28)
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>100n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274906
PNG
(CHEMBL465014 | N-[4-[3-(3-Methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C24H29N5O2/c1-31-23-6-3-2-5-22(23)28-17-15-27(16-18-28)13-4-11-26-24(30)20-7-9-21(10-8-20)29-14-12-25-19-29/h2-3,5-10,12,14,19H,4,11,13,15-18H2,1H3,(H,26,30)
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121n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50275198
PNG
(CHEMBL514908 | N-[4-[4-(3-Fluoro-5-methoxyphenyl)p...)
Show SMILES COc1cc(F)cc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C25H30FN5O2/c1-33-24-17-21(26)16-23(18-24)30-14-12-29(13-15-30)10-3-2-8-28-25(32)20-4-6-22(7-5-20)31-11-9-27-19-31/h4-7,9,11,16-19H,2-3,8,10,12-15H2,1H3,(H,28,32)
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133n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274873
PNG
(CHEMBL458554 | N-[4-[4-(3-Methoxyphenyl)piperazin-...)
Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C22H27N5O3/c1-29-19-6-4-5-18(16-19)27-13-11-26(12-14-27)10-3-2-9-23-22(28)17-7-8-20-21(15-17)25-30-24-20/h4-8,15-16H,2-3,9-14H2,1H3,(H,23,28)
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170n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274911
PNG
(CHEMBL458758 | N-[4-[4-(3-(2-Fluoroethoxy)phenyl)p...)
Show SMILES FCCOc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C26H32FN5O2/c27-10-19-34-25-5-3-4-24(20-25)31-17-15-30(16-18-31)13-2-1-11-29-26(33)22-6-8-23(9-7-22)32-14-12-28-21-32/h3-9,12,14,20-21H,1-2,10-11,13,15-19H2,(H,29,33)
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196n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274909
PNG
(CHEMBL457974 | N-[4-[4-(4-Methoxyphenyl)piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C25H31N5O2/c1-32-24-10-8-22(9-11-24)29-18-16-28(17-19-29)14-3-2-12-27-25(31)21-4-6-23(7-5-21)30-15-13-26-20-30/h4-11,13,15,20H,2-3,12,14,16-19H2,1H3,(H,27,31)
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211n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274912
PNG
(CHEMBL458759 | N-[4-[4-(3-(2-Fluoroethoxy)phenyl)p...)
Show SMILES FCCOc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C23H28FN5O3/c24-8-15-31-20-5-3-4-19(17-20)29-13-11-28(12-14-29)10-2-1-9-25-23(30)18-6-7-21-22(16-18)27-32-26-21/h3-7,16-17H,1-2,8-15H2,(H,25,30)
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226n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274872
PNG
(CHEMBL514562 | N-[4-[4-(3-Methoxyphenyl)piperazin-...)
Show SMILES COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C25H31N5O2/c1-32-24-6-4-5-23(19-24)29-17-15-28(16-18-29)13-3-2-11-27-25(31)21-7-9-22(10-8-21)30-14-12-26-20-30/h4-10,12,14,19-20H,2-3,11,13,15-18H2,1H3,(H,27,31)
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243n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50275199
PNG
(CHEMBL458354 | N-[4-[4-(3-Fluoro-5-methoxyphenyl)p...)
Show SMILES COc1cc(F)cc(c1)N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C22H26FN5O3/c1-30-19-14-17(23)13-18(15-19)28-10-8-27(9-11-28)7-3-2-6-24-22(29)16-4-5-20-21(12-16)26-31-25-20/h4-5,12-15H,2-3,6-11H2,1H3,(H,24,29)
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658n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274871
PNG
(CHEMBL456232 | N-[4-[3-(2-Methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C21H25N5O3/c1-28-20-6-3-2-5-19(20)26-13-11-25(12-14-26)10-4-9-22-21(27)16-7-8-17-18(15-16)24-29-23-17/h2-3,5-8,15H,4,9-14H2,1H3,(H,22,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50275199
PNG
(CHEMBL458354 | N-[4-[4-(3-Fluoro-5-methoxyphenyl)p...)
Show SMILES COc1cc(F)cc(c1)N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C22H26FN5O3/c1-30-19-14-17(23)13-18(15-19)28-10-8-27(9-11-28)7-3-2-6-24-22(29)16-4-5-20-21(12-16)26-31-25-20/h4-5,12-15H,2-3,6-11H2,1H3,(H,24,29)
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1.34E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274907
PNG
(CHEMBL447907 | N-[4-[4-(4-Methoxyphenyl)piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
Show InChI InChI=1S/C22H27N5O3/c1-29-19-7-5-18(6-8-19)27-14-12-26(13-15-27)11-3-2-10-23-22(28)17-4-9-20-21(16-17)25-30-24-20/h4-9,16H,2-3,10-15H2,1H3,(H,23,28)
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6.22E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 758-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.044
BindingDB Entry DOI: 10.7270/Q2WH2PV3
More data for this
Ligand-Target Pair